6-Chloro-9-methyl-7H-purin-8(9H)-one - CAS 84602-79-9
Catalog: |
BB037262 |
Product Name: |
6-Chloro-9-methyl-7H-purin-8(9H)-one |
CAS: |
84602-79-9 |
Synonyms: |
6-chloro-9-methyl-7H-purin-8-one; 6-chloro-9-methyl-7H-purin-8-one |
IUPAC Name: | 6-chloro-9-methyl-7H-purin-8-one |
Description: | 6-Chloro-9-methyl-7H-purin-8(9H)-one (CAS# 84602-79-9) is a useful research chemical. |
Molecular Weight: | 184.58 |
Molecular Formula: | C6H5ClN4O |
Canonical SMILES: | CN1C2=C(C(=NC=N2)Cl)NC1=O |
InChI: | InChI=1S/C6H5ClN4O/c1-11-5-3(10-6(11)12)4(7)8-2-9-5/h2H,1H3,(H,10,12) |
InChI Key: | KJZYRUQLZCSBSC-UHFFFAOYSA-N |
LogP: | 0.31000 |
Publication Number | Title | Priority Date |
WO-2020070181-A1 | Inhibitors of the yap/taz-tead interaction and their use in the treatment of cancer | 20181002 |
CN-113039182-A | Inhibitors of YAP/TAZ-TEAD interaction and their use in cancer treatment | 20181002 |
EP-3860990-A1 | Inhibitors of the yap/taz-tead interaction and their use in the treatment of cancer | 20181002 |
KR-20210072001-A | Inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of cancer | 20181002 |
US-2021323982-A1 | Inhibitors of the yap/taz-tead interaction and their use in the treatment of cancer | 20181002 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.0151885 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.0151885 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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